The ADME databases
The good model is based on good data. Here, we release six databases for public scientific community. These database are carefully collected from literature. In the near future, more databases will be continuously added to our database collections. These databases are of interest to those involved in drug discovery for benchmarking the results of experiments, validating the accuracy of existing ADME predictive models, and building new predictive models using a "training" dataset. The databases includes:
• Water solubility (logS) datatabase (Link)
• Caco-2 permeability database (Link)
• Blood-brain permeability database (Link)
• P-gp inhibitor database (Link)
• Oral absorption database (Link)
• Oral bioavailability database
• Combined databases (Link)
The oral bioavailability database, the oral absorption database, and the combined database are protected by passwords. Now these three databases are released formally (download the databases and apply for the passwds from the ADME research team) because two related manuscripts were formally published by Journal of Chemical Information and Modeling.
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